N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine

C66H41NOS — CID 138476078

IUPACN-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4ccc5c(c4)-c4ccccc4C54c5ccccc5Sc5ccccc54)ccc3c2)cc1
InChIInChI=1S/C66H41NOS/c1-2-16-42(17-3-1)43-30-31-45-39-46(33-32-44(45)38-43)67(47-34-36-55-51(40-47)49-18-4-6-20-53(49)65(55)57-22-8-12-26-61(57)68-62-27-13-9-23-58(62)65)48-35-37-56-52(41-48)50-19-5-7-21-54(50)66(56)59-24-10-14-28-63(59)69-64-29-15-11-25-60(64)66/h1-41H
InChIKeyLCQBQVLXPWQJQR-UHFFFAOYSA-N
MW896.13 g/mol
LogP17.27
Rot. Bonds4

About N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine

N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine (PubChem CID 138476078) has the molecular formula C66H41NOS and a molecular weight of 896.13 g/mol. Its IUPAC name is N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine.

Molecular Properties

Compound NameN-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
PubChem CID138476078
Molecular FormulaC66H41NOS
Molecular Weight896.13 g/mol
Exact Mass895.29
IUPAC NameN-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4ccc5c(c4)-c4ccccc4C54c5ccccc5Sc5ccccc54)ccc3c2)cc1
InChIInChI=1S/C66H41NOS/c1-2-16-42(17-3-1)43-30-31-45-39-46(33-32-44(45)38-43)67(47-34-36-55-51(40-47)49-18-4-6-20-53(49)65(55)57-22-8-12-26-61(57)68-62-27-13-9-23-58(62)65)48-35-37-56-52(41-48)50-19-5-7-21-54(50)66(56)59-24-10-14-28-63(59)69-64-29-15-11-25-60(64)66/h1-41H
InChIKeyLCQBQVLXPWQJQR-UHFFFAOYSA-N
XLogP17.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.13
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]fluorene-11,9'-thioxanthene]-7-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477388
N-[4-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]fluorene-11,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477727
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476091
N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476072
N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-yl-3'-[3-[3-[4-[spiro[fluorene-9,9'-thioxanthene]-3-yl(spiro[fluorene-9,9'-xanthene]-2-yl)amino]phenyl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477200
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine
CID 167177758
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 164707025
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477229
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476010
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476201
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476202
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138475982

Frequently Asked Questions

What is the IUPAC name of N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The IUPAC name of N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine (CID 138476078) is N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine.
What is the SMILES notation for N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The canonical SMILES for N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine is c1ccc(-c2ccc3cc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4ccc5c(c4)-c4ccccc4C54c5ccccc5Sc5ccccc54)ccc3c2)cc1.
What is the InChIKey of N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?
The InChIKey is LCQBQVLXPWQJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NOS/c1-2-16-42(17-3-1)43-30-31-45-39-46(33-32-44(45)38-43)67(47-34-36-55-51(40-47)49-18-4-6-20-53(49)65(55)57-22-8-12-26-61(57)68-62-27-13-9-23-58(62)65)48-35-37-56-52(41-48)50-19-5-7-21-54(50)66(56)59-24-10-14-28-63(59)69-64-29-15-11-25-60(64)66/h1-41H.
What are the key properties of N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine?
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine has a molecular weight of 896.13 g/mol, XLogP of 17.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine is sourced from PubChem (CID 138476078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).